SCHEMBL12401699

SCHEMBL12401699

CCCC(NC(C)(C)C)C(=O)C(=O)NCCc1c[nH]c2ccc(C)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
MTNR1B P49286 1/20 0.58
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
GFER P55789 1/20 0.50
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PTGS2 P35354 3/20 0.48
PTGS1 P23219 2/20 0.48
SPR P35270 2/20 0.46
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12401667 0.92 MTNR1A (0.47) MTNR1AMTNR1BMAPTSMN1; SMN2POLB
SCHEMBL12401679 0.89 HTR1A (0.50) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL12404686 0.88 MTNR1A (0.63) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL1130185 0.79 MTNR1A (0.68) MTNR1AMTNR1BMAPTSMN1; SMN2POLB
SCHEMBL15338726 0.79 SPR (0.62) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL16328220 0.77 HTR1A (0.53) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL14943234 0.77 MTNR1A (0.66) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL12468420 0.76 MTNR1A (0.65) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL1129747 0.76 MTNR1A (0.63) MTNR1AMTNR1BMAPTSMN1; SMN2POLB
SCHEMBL2608951 0.75 SPR (0.77) MTNR1AMTNR1BMAPTSMN1; SMN2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 MTNR1A 3909/4885MTNR1B 3952/4885MAPT 2629/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 MTNR1A 3870/4885MTNR1B 3835/4885MAPT 2613/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.